Atomistry » Magnesium » PDB 5l5u-5lcd » 5lba
Atomistry »
  Magnesium »
    PDB 5l5u-5lcd »
      5lba »

Magnesium in PDB 5lba: Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.

Enzymatic activity of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.

All present enzymatic activity of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.:
3.6.4.12;

Protein crystallography data

The structure of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening., PDB code: 5lba was solved by J.A.Newman, H.Aitkenhead, R.Talon, P.Savitsky, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.49 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 63.926, 85.261, 105.915, 109.90, 90.02, 97.01
R / Rfree (%) 23.7 / 30.3

Other elements in 5lba:

The structure of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. (pdb code 5lba). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening., PDB code: 5lba:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 1 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:35.6
occ:1.00
O B:HOH607 2.0 41.9 1.0
O B:HOH634 2.1 20.6 1.0
O3B B:ADP503 2.2 30.6 1.0
O B:HOH646 2.2 44.9 1.0
PB B:ADP503 3.6 35.0 1.0
OE2 B:GLU158 4.0 43.4 1.0
OD2 B:ASP157 4.0 41.1 1.0
O2B B:ADP503 4.0 34.7 1.0
OG B:SER59 4.0 33.1 1.0
OD1 B:ASP157 4.0 40.0 1.0
O2A B:ADP503 4.4 36.9 1.0
CG B:ASP157 4.4 38.0 1.0
O1B B:ADP503 4.5 33.2 1.0
O3A B:ADP503 4.6 39.1 1.0
CE B:LYS58 4.7 31.1 1.0
NE2 B:GLN86 4.7 56.4 1.0
PA B:ADP503 4.8 40.7 1.0
NZ B:LYS58 4.8 29.9 1.0
O1A B:ADP503 4.9 37.9 1.0
CD B:GLU158 4.9 40.5 1.0

Magnesium binding site 2 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 2 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:43.6
occ:1.00
O A:HOH601 1.9 30.9 1.0
O A:HOH637 2.1 21.1 1.0
O A:HOH646 2.3 46.4 1.0
O1B A:ADP502 2.5 36.7 1.0
O A:HOH616 2.6 18.4 1.0
OD1 A:ASP157 3.5 40.5 1.0
PB A:ADP502 3.7 39.1 1.0
OD2 A:ASP157 3.9 36.4 1.0
O2B A:ADP502 4.0 35.8 1.0
CE A:LYS58 4.1 35.6 1.0
CG A:ASP157 4.1 37.0 1.0
OE1 A:GLU158 4.2 43.4 1.0
OE2 A:GLU158 4.4 45.2 1.0
CD A:GLU158 4.4 41.4 1.0
O A:HOH619 4.5 39.2 1.0
O3B A:ADP502 4.5 37.1 1.0
OG A:SER59 4.5 34.8 1.0
NZ A:LYS58 4.6 33.2 1.0
CB A:LYS58 4.6 39.8 1.0
O1A A:ADP502 4.9 49.1 1.0
O3A A:ADP502 4.9 43.1 1.0

Magnesium binding site 3 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 3 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:49.5
occ:1.00
O C:HOH610 2.4 41.9 1.0
O2B C:ADP503 2.5 48.0 1.0
OD1 C:ASP157 3.6 43.6 1.0
PB C:ADP503 3.7 50.4 1.0
OD2 C:ASP157 3.7 49.1 1.0
O3B C:ADP503 4.0 47.8 1.0
CG C:ASP157 4.1 46.0 1.0
OE2 C:GLU158 4.2 50.1 1.0
OG C:SER59 4.2 39.3 1.0
CE C:LYS58 4.3 36.4 1.0
O C:HOH639 4.6 44.5 1.0
O1B C:ADP503 4.7 49.6 1.0
O2A C:ADP503 4.7 47.9 1.0
CB C:LYS58 4.7 36.4 1.0
NZ C:LYS58 4.9 35.6 1.0
O3A C:ADP503 4.9 47.9 1.0
O1A C:ADP503 4.9 39.3 1.0
N C:SER59 5.0 37.5 1.0
CD C:GLU158 5.0 45.3 1.0

Magnesium binding site 4 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 4 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:45.7
occ:1.00
O D:HOH631 1.9 50.7 1.0
O D:HOH621 2.1 25.2 1.0
O1B D:ADP503 2.8 35.3 1.0
OD1 D:ASP157 3.6 40.5 1.0
OD2 D:ASP157 3.8 44.6 1.0
PB D:ADP503 3.9 37.9 1.0
O3B D:ADP503 4.0 36.1 1.0
CG D:ASP157 4.1 41.4 1.0
OE1 D:GLU158 4.4 43.5 1.0
CE D:LYS58 4.5 38.0 1.0
OG D:SER59 4.5 38.6 1.0
CD D:GLU158 4.6 44.2 1.0
OE2 D:GLU158 4.6 48.6 1.0
O1A D:ADP503 4.8 47.9 1.0
O2B D:ADP503 4.8 35.0 1.0
NZ D:LYS58 4.9 38.0 1.0
CB D:LYS58 4.9 36.9 1.0

Reference:

J.A.Newman, R.Talon, H.Aitkenhead, P.Savitsky, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. Crystal Structure of Human RECQL5 Helicase in Complex with 3D Fragment (1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea) To Be Published.
Page generated: Sun Sep 29 19:49:02 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy